(164y) Temperature Profile in the Oscillatory Behavior of Double-Walled Carbon Nanotubes

Double-walled carbon nanotubes (DWCN) undergo oscillatory behavior in the separation of their centers of mass after an external axial force is applied to separate and telescope them [1-4]. The external axial force can be thought as a mechanical impulse applied for short periods in the scale of picoseconds. In this work we performed molecular dynamics simulations at constant energy with several time-dependent functional forms of the initial impulse. Nanotubes were modeled as carbon sites with inter- and intra-molecular interactions. The studied system is the DWCN with chiral conformations (7,0) / (9,9). When the external axial force is applied, strong friction processes produced a pronounced increase in the average temperature of the system, which depends on the functional form of the applied impulse. After the external axial force is eliminated, the system shows a monotonically increase in its average temperature due to the friction forces during the oscillatory behavior. We will show the dependence in the increase of temperature as a function of the functional form of the applied impulse.

[1] J. L. Rivera, C. McCabe and Peter T. Cummings, Nanotechnology, 16, 186, 2005 [2] V. R. Coluci, S. B. Legoas, M. A. M. de Aguiar and D. S. Galvao, Nanotechnology, 16, 583, 2005 [3] J. W. Kang, K. O. Song KO, O. K. Kwon, H. J. Hwang, Nanotechnology, 16, 2670, 2005 [4] X. G. Zhao, P. T. Cummings, J. Chem. Phys. 124, 134705, 2006